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dc.contributor.authorEl-Mellouhi, Fedwa
dc.contributor.authorMarzouk, Asma
dc.contributor.authorBentria, El Tayeb
dc.contributor.authorRashkeev, Sergey N.
dc.contributor.authorKais, Sabre
dc.contributor.authorAlharbi, Fahhad H.
dc.date.accessioned2017-05-15T10:35:08Z
dc.date.available2017-05-15T10:35:08Z
dc.date.issued2016-09-08
dc.identifier.citationEl-Mellouhi F, Marzouk A, Bentria ET, Rashkeev SN, Kais S, et al. (2016) Hydrogen Bonding and Stability of Hybrid Organic-Inorganic Perovskites. ChemSusChem 9: 2648–2655. Available: http://dx.doi.org/10.1002/cssc.201600864.
dc.identifier.issn1864-5631
dc.identifier.doi10.1002/cssc.201600864
dc.identifier.urihttp://hdl.handle.net/10754/623555
dc.description.abstractIn the past few years, the efficiency of solar cells based on hybrid organic–inorganic perovskites has exceeded the level needed for commercialization. However, existing perovskites solar cells (PSCs) suffer from several intrinsic instabilities, which prevent them from reaching industrial maturity, and stabilizing PSCs has become a critically important problem. Here we propose to stabilize PSCs chemically by strengthening the interactions between the organic cation and inorganic anion of the perovskite framework. In particular, we show that replacing the methylammonium cation with alternative protonated cations allows an increase in the stability of the perovskite by forming strong hydrogen bonds with the halide anions. This interaction also provides opportunities for tuning the electronic states near the bandgap. These mechanisms should have a universal character in different hybrid organic–inorganic framework materials that are widely used.
dc.description.sponsorshipWe are extremely grateful for the Research Computing Center in Texas A&M University at Qatar and SHAHEEN Supercomputer at King Abdullah University of Science and Technology (KAUST), Saudi Arabia, where the calculations were conducted. This work is supported by the Qatar National Research Fund (QNRF) through the National Priorities Research Program (NPRP8-090-2-047).
dc.publisherWiley-Blackwell
dc.subjectdensity functional theory
dc.subjecthydrogen bonding
dc.subjectperovskite
dc.subjectsolar cells
dc.subjectstability
dc.titleHydrogen Bonding and Stability of Hybrid Organic-Inorganic Perovskites
dc.typeArticle
dc.identifier.journalChemSusChem
dc.contributor.institutionQatar Environment and Energy Research Institute (QEERI); Hamad Bin Khalifa University; P.O. Box 5825 Doha Qatar
dc.contributor.institutionCollege of Science and Engineering; Hamad Bin Khalifa University; Doha Qatar
dc.contributor.institutionDepartment of Chemistry, Physics, and Birck Nanotechnology Center; Purdue University; West Lafayette Indiana 47907 USA


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